subroutine dodecene_init()
use molecule
implicit none
   !-------------------------------------------------------------------------
   natom    = 36
   neighmax = 4
   molname  = "dodecene"
   !
   if ( allocated(neigh   )) deallocate( neigh )
   if ( allocated(element )) deallocate( element )
   if ( allocated(molpos  )) deallocate( molpos  )
   allocate( element(natom), neigh(neighmax, natom), molpos(3,natom) )
   !
   element( 1) = "CM"
   element( 2) = "HC"
   element( 3) = "HC"
   element( 4) = "Cm"
   element( 5) = "Hc"
   element( 6) = "CT"
   element( 7) = "HT"
   element( 8) = "HT"
   element( 9) = "CT"
   element(10) = "HT"
   element(11) = "HT"
   element(12) = "CT"
   element(13) = "HT"
   element(14) = "HT"
   element(15) = "CT"
   element(16) = "HT"
   element(17) = "HT"
   element(18) = "CT"
   element(19) = "HT"
   element(20) = "HT"
   element(21) = "CT"
   element(22) = "HT"
   element(23) = "HT"
   element(24) = "CT"
   element(25) = "HT"
   element(26) = "HT"
   element(27) = "CT"
   element(28) = "HT"
   element(29) = "HT"
   element(30) = "CT"
   element(31) = "HT"
   element(32) = "HT"
   element(33) = "Ct"
   element(34) = "Ht"
   element(35) = "Ht"
   element(36) = "Ht"
   !
   neigh(:, 1) = (/ 2, 3, 4, 0 /)
   neigh(:, 2) = (/ 1, 0, 0, 0 /)
   neigh(:, 3) = (/ 1, 0, 0, 0 /)
   neigh(:, 4) = (/ 1, 5, 6, 0 /)
   neigh(:, 5) = (/ 4, 0, 0, 0 /)
   neigh(:, 6) = (/ 4, 7, 8, 9 /)
   neigh(:, 7) = (/ 6, 0, 0, 0 /)
   neigh(:, 8) = (/ 6, 0, 0, 0 /)
   neigh(:, 9) = (/ 6,10,11,12 /)
   neigh(:,10) = (/ 9, 0, 0, 0 /)
   neigh(:,11) = (/ 9, 0, 0, 0 /)
   neigh(:,12) = (/ 9,13,14,15 /)
   neigh(:,13) = (/12, 0, 0, 0 /)
   neigh(:,14) = (/12, 0, 0, 0 /)
   neigh(:,15) = (/12,16,17,18 /)
   neigh(:,16) = (/15, 0, 0, 0 /)
   neigh(:,17) = (/15, 0, 0, 0 /)
   neigh(:,18) = (/15,19,20,21 /)
   neigh(:,19) = (/18, 0, 0, 0 /)
   neigh(:,20) = (/18, 0, 0, 0 /)
   neigh(:,21) = (/18,22,23,24 /)
   neigh(:,22) = (/21, 0, 0, 0 /)
   neigh(:,23) = (/21, 0, 0, 0 /)
   neigh(:,24) = (/21,25,26,27 /)
   neigh(:,25) = (/24, 0, 0, 0 /)
   neigh(:,26) = (/24, 0, 0, 0 /)
   neigh(:,27) = (/24,28,29,30 /)
   neigh(:,28) = (/27, 0, 0, 0 /)
   neigh(:,29) = (/27, 0, 0, 0 /)
   neigh(:,30) = (/27,31,32,33 /)
   neigh(:,31) = (/30, 0, 0, 0 /)
   neigh(:,32) = (/30, 0, 0, 0 /)
   neigh(:,33) = (/30,34,35,36 /)
   neigh(:,34) = (/33, 0, 0, 0 /)
   neigh(:,35) = (/33, 0, 0, 0 /)
   neigh(:,36) = (/33, 0, 0, 0 /)
   !
   molpos(:, 1) = (/  0.0000000000D0,  0.0000000000D0,  0.0000000000D0 /)
   molpos(:, 2) = (/ -0.8696953628D0,  0.0548702969D0, -0.6389061014D0 /)
   molpos(:, 3) = (/  0.0263096080D0, -0.7834042452D0,  0.7436817418D0 /)
   molpos(:, 4) = (/  1.0051733701D0,  0.8799107629D0, -0.1243712399D0 /)
   molpos(:, 5) = (/  0.9376663082D0,  1.6566488750D0, -0.8735550235D0 /)
   molpos(:, 6) = (/  2.2526868791D0,  0.8799107629D0,  0.7346152763D0 /)
   molpos(:, 7) = (/  2.2443645217D0,  0.0156490359D0,  1.4005596100D0 /)
   molpos(:, 8) = (/  2.2307418346D0,  1.7678145897D0,  1.3676847822D0 /)
   molpos(:, 9) = (/  3.5254184395D0,  0.8799107629D0, -0.1243712399D0 /)
   molpos(:,10) = (/  3.5231850178D0,  1.7584381003D0, -0.7713272116D0 /)
   molpos(:,11) = (/  3.5257842215D0,  0.0107008949D0, -0.7841664138D0 /)
   molpos(:,12) = (/  4.8023867865D0,  0.8759038989D0,  0.7290038981D0 /)
   molpos(:,13) = (/  4.8523773256D0, -0.0520329720D0,  1.3004731444D0 /)
   molpos(:,14) = (/  4.7514991162D0,  1.6843932029D0,  1.4597771806D0 /)
   molpos(:,15) = (/  6.0788917577D0,  1.0379534610D0, -0.1090974369D0 /)
   molpos(:,16) = (/  6.0328444222D0,  1.9822281964D0, -0.6535567715D0 /)
   molpos(:,17) = (/  6.1281421586D0,  0.2498366760D0, -0.8618288573D0 /)
   molpos(:,18) = (/  7.3505194096D0,  1.0053574413D0,  0.7514245293D0 /)
   molpos(:,19) = (/  7.4328379677D0,  0.0326700429D0,  1.2384289338D0 /)
   molpos(:,20) = (/  7.2673316346D0,  1.7432202454D0,  1.5506901525D0 /)
   molpos(:,21) = (/  8.6229377665D0,  1.2852891537D0, -0.0612353391D0 /)
   molpos(:,22) = (/  8.5482766582D0,  2.2734549004D0, -0.5176235029D0 /)
   molpos(:,23) = (/  8.6982807767D0,  0.5713364254D0, -0.8826097376D0 /)
   molpos(:,24) = (/  9.8940294189D0,  1.2128697630D0,  0.7973600155D0 /)
   molpos(:,25) = (/  9.9944242191D0,  0.2082888428D0,  1.2110536928D0 /)
   molpos(:,26) = (/  9.7973118207D0,  1.8881039933D0,  1.6487653129D0 /)
   molpos(:,27) = (/ 11.1607847630D0,  1.5727511303D0,  0.0078654874D0 /)
   molpos(:,28) = (/ 11.0668876762D0,  2.5872171853D0, -0.3823632409D0 /)
   molpos(:,29) = (/ 11.2503334195D0,  0.9162136700D0, -0.8589273722D0 /)
   molpos(:,30) = (/ 12.4332650106D0,  1.4687539833D0,  0.8610982767D0 /)
   molpos(:,31) = (/ 12.5481524251D0,  0.4465246814D0,  1.2244393100D0 /)
   molpos(:,32) = (/ 12.3362591269D0,  2.1002003503D0,  1.7454136018D0 /)
   molpos(:,33) = (/ 13.6934524497D0,  1.8758593480D0,  0.0886500582D0 /)
   molpos(:,34) = (/ 13.6329444849D0,  2.9115329333D0, -0.2472095869D0 /)
   molpos(:,35) = (/ 13.8400650290D0,  1.2462676853D0, -0.7896390057D0 /)
   molpos(:,36) = (/ 14.5809771262D0,  1.7826557324D0,  0.7153302754D0 /)
   !-------------------------------------------------------------------------
end subroutine dodecene_init
